SCHEMBL6040545

SCHEMBL6040545

O=C(CS)NCC1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.79
MAOA P21397 2/20 0.79
F10 P00742 14/20 0.72
LMNA P02545 1/20 0.64
PTGS1 P23219 1/20 0.64
CALML3 P27482 1/20 0.64
SDHA P31040 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7846255 0.90 MAOB (0.82) MAOBMAOAF10LMNAPTGS1
SCHEMBL27552994 0.90 MAOB (0.79) MAOBMAOAF10LMNAPTGS1
SCHEMBL5216684 0.89 MAOB (0.84) MAOBMAOAF10LMNAPTGS1
Sutezolid SCHEMBL2152517 0.89 MAOB (1.00) MAOBMAOAF10LMNAPTGS1
Sutezolid SCHEMBL29757643 0.89 MAOB (1.00) MAOBMAOAF10LMNAPTGS1
Sutezolid SCHEMBL2152519 0.89 MAOB (1.00) MAOBMAOAF10LMNAPTGS1
SCHEMBL7156352 0.87 MAOA (0.60) MAOBMAOAF10LMNAPTGS1
SCHEMBL7704129 0.87 MAOB (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL18410470 0.87 MAOB (0.81) MAOBMAOAF10LMNAPTGS1
SCHEMBL18408828 0.87 MAOB (0.82) MAOBMAOAF10LMNAPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed